Search results for "Protein folding"

showing 10 items of 196 documents

Assessment of the probabilities for evolutionary structural changes in protein folds.

2007

Abstract Motivation: The evolution of protein sequences can be described by a stepwise process, where each step involves changes of a few amino acids. In a similar manner, the evolution of protein folds can be at least partially described by an analogous process, where each step involves comparatively simple changes affecting few secondary structure elements. A number of such evolution steps, justified by biologically confirmed examples, have previously been proposed by other researchers. However, unlike the situation with sequences, as far as we know there have been no attempts to estimate the comparative probabilities for different kinds of such structural changes. Results: We have tried …

Statistics and ProbabilityModels MolecularProtein FoldingProtein domainStructural alignmentBiologyBiochemistrySet (abstract data type)Evolution MolecularProtein structureSimilarity (network science)Sequence Analysis ProteinComputer SimulationMolecular BiologyProtein secondary structureConserved SequenceSequenceModels GeneticSequence Homology Amino AcidProteinsStructural Classification of Proteins databaseComputer Science ApplicationsComputational MathematicsComputational Theory and MathematicsModels ChemicalData Interpretation Statisticalsense organsAlgorithmSequence AlignmentBioinformatics (Oxford, England)
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A Hooke's law-based approach to protein folding rate

2014

Kinetics is a key aspect of the renowned protein folding problem. Here, we propose a comprehensive approach to folding kinetics where a polypeptide chain is assumed to behave as an elastic material described by the Hooke[U+05F3]s law. A novel parameter called elastic-folding constant results from our model and is suggested to distinguish between protein with two-state and multi-state folding pathways. A contact-free descriptor, named folding degree, is introduced as a suitable structural feature to study protein-folding kinetics. This approach generalizes the observed correlations between varieties of structural descriptors with the folding rate constant. Additionally several comparisons am…

Statistics and ProbabilityPROTDCALStructure analysisGeneral Biochemistry Genetics and Molecular BiologyArticleProtein Structure SecondaryAmino acid sequencesymbols.namesakeProtein structureEnergeticsFeature (machine learning)Statistical physicsProtein foldingTheoretical modelProtein secondary structureReaction kineticsGeneral Immunology and MicrobiologyChemical modelApplied MathematicsProteinHooke's lawModelingProteinsGeneral MedicineDNAComputer simulationElasticityFolding degreeFolding (chemistry)ChemistryKineticsModels ChemicalModeling and SimulationPeptidesymbolsProtein structureElastic folding constantPhysical chemistryProtein secondary structureThermodynamicsProtein foldingDownhill foldingPolypeptideGeneral Agricultural and Biological SciencesConstant (mathematics)Folding kinetics
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Global stability of protein folding from an empirical free energy function

2013

The principles governing protein folding stand as one of the biggest challenges of Biophysics. Modeling the global stability of proteins and predicting their tertiary structure are hard tasks, due in part to the variety and large number of forces involved and the difficulties to describe them with sufficient accuracy. We have developed a fast, physics-based empirical potential, intended to be used in global structure prediction methods. This model considers four main contributions: Two entropic factors, the hydrophobic effect and configurational entropy, and two terms resulting from a decomposition of close-packing interactions, namely the balance of the dispersive interactions of folded an…

Statistics and ProbabilityProtein FoldingEmpirical potential for proteinsConfiguration entropyPROTCALBioinformaticsGeneral Biochemistry Genetics and Molecular BiologyForce field (chemistry)Protein structureStatistical physicsDatabases ProteinQuantitative Biology::BiomoleculesModels StatisticalFoldXGeneral Immunology and MicrobiologyApplied MathematicsProteinsReproducibility of ResultsGeneral MedicineProtein tertiary structureProtein Structure TertiaryPrediction of protein folding stabilityModeling and SimulationLinear ModelsThermodynamicsProtein foldingGeneral Agricultural and Biological SciencesStatistical potentialAlgorithmsSoftwareTest dataJournal of Theoretical Biology
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Folding Patterns in a Family of Oligoamide Foldamers

2015

A series of small, unsymmetrical pyridine-2,6-dicarboxylamide oligoamide foldamers with varying lengths and substituents at the end groups were synthetized to study their conformational properties and folding patterns. The @-type folding pattern resembled the oxyanion-hole motifs of enzymes, but several alternative folding patterns could also be characterized. Computational studies revealed several alternative conformers of nearly equal stability. These folding patterns differed from each other in their intramolecular hydrogen-bonding patterns and aryl-aryl interactions. In the solid state, the foldamers adopted either the globular @-type fold or the more extended S-type conformers, which w…

StereochemistryHydrogen bondChemistryOrganic Chemistrycrystal growthSolid-stateFoldamerGeneral ChemistryCatalysisoligomerizationCrystallographyLiquid stateIntramolecular forceprotein foldinghydrogen bondsMoleculeProtein foldingfoldamersConformational isomerismta116Chemistry: A European Journal
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Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions

2018

Abstract Once materials come into contact with a biological fluid containing proteins, proteins are generally—whether desired or not—attracted by the material's surface and adsorb onto it. The aim of this Review is to give an overview of the most commonly used characterization methods employed to gain a better understanding of the adsorption processes on either planar or curved surfaces. We continue to illustrate the benefit of combining different methods to different surface geometries of the material. The thus obtained insight ideally paves the way for engineering functional materials that interact with proteins in a predetermined manner.

Surface (mathematics)Protein FoldingMaterials scienceSurface PropertiesengineeringReviewsNanotechnology02 engineering and technologyReview010402 general chemistryProtein Engineering01 natural sciencesCatalysisBiological fluidTheranostic NanomedicineNanomaterialsinterfacesAdsorptionPlanarCharacterization methodscharacterizationnanomaterialsDrug CarriersProteinsGeneral Chemistry021001 nanoscience & nanotechnologyprotein adsorption0104 chemical sciencesCharacterization (materials science)NanostructuresProtein Corona0210 nano-technologyProtein adsorptionProtein BindingAngewandte Chemie (International Ed. in English)
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Chromatin modifiers and recombination factors promote a telomere fold-back structure, that is lost during replicative senescence.

2020

Telomeres have the ability to adopt a lariat conformation and hence, engage in long and short distance intra-chromosome interactions. Budding yeast telomeres were proposed to fold back into subtelomeric regions, but a robust assay to quantitatively characterize this structure has been lacking. Therefore, it is not well understood how the interactions between telomeres and non-telomeric regions are established and regulated. We employ a telomere chromosome conformation capture (Telo-3C) approach to directly analyze telomere folding and its maintenance in S. cerevisiae. We identify the histone modifiers Sir2, Sin3 and Set2 as critical regulators for telomere folding, which suggests that a dis…

TelomeraseProtein Folding:Chemicals and Drugs::Amino Acids Peptides and Proteins::Proteins::DNA-Binding Proteins::Rad52 DNA Repair and Recombination Protein [Medical Subject Headings]:Chemicals and Drugs::Amino Acids Peptides and Proteins::Proteins::Fungal Proteins::Saccharomyces cerevisiae Proteins [Medical Subject Headings]Gene ExpressionYeast and Fungal ModelsArtificial Gene Amplification and ExtensionQH426-470BiochemistryPolymerase Chain ReactionChromosome conformation captureHistonesCromatina0302 clinical medicineSirtuin 2Macromolecular Structure AnalysisSilent Information Regulator Proteins Saccharomyces cerevisiaeCellular Senescence:Organisms::Eukaryota::Fungi::Yeasts::Saccharomyces::Saccharomyces cerevisiae [Medical Subject Headings]0303 health sciencesChromosome BiologyEukaryota:Phenomena and Processes::Genetic Phenomena::Genetic Processes::DNA Replication [Medical Subject Headings]TelomereSubtelomere:Anatomy::Cells::Cellular Structures::Intracellular Space::Cell Nucleus::Cell Nucleus Structures::Intranuclear Space::Chromosomes::Chromosome Structures::Telomere [Medical Subject Headings]Chromatin3. Good healthChromatinCell biologyNucleic acidsTelomeres:Phenomena and Processes::Cell Physiological Phenomena::Cell Physiological Processes::Cell Cycle::Cell Division::Telomere Homeostasis [Medical Subject Headings]Experimental Organism SystemsDaño del ADNEpigeneticsResearch ArticleSenescenceDNA Replication:Chemicals and Drugs::Enzymes and Coenzymes::Enzymes::Hydrolases::Amidohydrolases::Histone Deacetylases [Medical Subject Headings]Chromosome Structure and FunctionProtein StructureSaccharomyces cerevisiae ProteinsSaccharomyces cerevisiaeBiologyResearch and Analysis MethodsHistone DeacetylasesChromosomes03 medical and health sciencesSaccharomycesModel Organisms:Chemicals and Drugs::Enzymes and Coenzymes::Enzymes::Transferases::One-Carbon Group Transferases::Methyltransferases [Medical Subject Headings]:Chemicals and Drugs::Amino Acids Peptides and Proteins::Proteins::Intracellular Signaling Peptides and Proteins::Sirtuins::Sirtuin 2 [Medical Subject Headings]:Chemicals and Drugs::Amino Acids Peptides and Proteins::Proteins::Fungal Proteins::Saccharomyces cerevisiae Proteins::Silent Information Regulator Proteins Saccharomyces cerevisiae [Medical Subject Headings]DNA-binding proteinsGenetics:Chemicals and Drugs::Enzymes and Coenzymes::Enzymes::Recombinases::Rec A Recombinases::Rad51 Recombinase [Medical Subject Headings]Molecular Biology TechniquesMolecular Biology030304 developmental biologyCromosomasSenescencia celularOrganismsFungiBiology and Life SciencesProteinsTelomere HomeostasisCell BiologyDNAMethyltransferasesG2-M DNA damage checkpointProteína recombinante y reparadora de ADN Rad52YeastTelomereRad52 DNA Repair and Recombination ProteinRepressor ProteinsAnimal Studies:Chemicals and Drugs::Amino Acids Peptides and Proteins::Proteins::Transcription Factors::Repressor Proteins [Medical Subject Headings]DNA damageRad51 RecombinaseHomologous recombination030217 neurology & neurosurgeryTelómeroDNA DamagePLoS Genetics
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Discovery and validation of small-molecule heat-shock protein 90 inhibitors through multimodality molecular imaging in living subjects.

2012

Up-regulation of the folding machinery of the heat-shock protein 90 (Hsp90) chaperone protein is crucial for cancer progression. The two Hsp90 isoforms (α and β) play different roles in response to chemotherapy. To identify isoform-selective inhibitors of Hsp90(α/β)/cochaperone p23 interactions, we developed a dual-luciferase (Renilla and Firefly) reporter system for high-throughput screening (HTS) and monitoring the efficacy of Hsp90 inhibitors in cell culture and live mice. HTS of a 30,176 small-molecule chemical library in cell culture identified a compound, N -(5-methylisoxazol-3-yl)-2-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-ylthio]acetamide (CP9), that binds to Hsp90(α/β) an…

Thymidine kinase activityProtein FoldingImmunoprecipitationLactams MacrocyclicBlotting WesternMice NudeThiophenesBiologyThioacetamideTritiumSmall Molecule LibrariesMiceco-chaperone p23Luciferases FireflyHeat shock proteinCell Line TumorNeoplasmsAcetamidesDrug DiscoveryBenzoquinonesAnimalsHumansImmunoprecipitationProtein IsoformsLuciferaseHSP90 Heat-Shock ProteinsLuciferases RenillaProstaglandin-E SynthasesMultidisciplinaryCell growthImidazolesbioluminescence imagingHsp90Small moleculeMolecular biologydrug developmentHigh-Throughput Screening Assayssmall-molecule inhibitorsIntramolecular OxidoreductasesLeadPNAS PlusCell culturePositron-Emission TomographyPyrazinesbiology.proteinPET/computed tomography imagingTomography X-Ray ComputedProceedings of the National Academy of Sciences of the United States of America
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Impact of Chaperonopathies in Protein Homeostasis and Beyond

2013

Chaperones have functions other than those classically attributed to them pertaining to protein homeostasis. These “other” non-canonical functions are the focus of chapter 8. The close interaction of the chaperoning and the immune systems and the impact of their malfunctioning on aging and cancer are highlighted. Conversely, the impact of ageing and cancer on the two systems is also underscored. The connections between stress, protein damage (including chaperones), protein misfolding, protein aggregation and precipitation, and tissue degeneration, are analyzed, indicating that all these processes are aggravated by a decline in chaperoning potential with aging (chaperonopathies of the aged) …

Tissue DegenerationAgeingProtein foldingProtein aggregationBiologyProtein HomeostasisCell biology
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Membrane topology and post-translational modification of the Saccharomyces cerevisiae essential protein Rot1.

2007

ROT1 is an essential gene that has been related to cell wall biosynthesis, the actin cytoskeleton and protein folding. In order to help to understand its molecular function, we carried out a characterization of the Rot1 protein. It is primarily located at the endoplasmic reticulum-nuclear membrane facing the lumen. Rot1 migrates more slowly than expected, which might suggest post-translational modification. Our results indicate that Rot1 is a protein that is neither GPI-anchored nor O-glycosylated. In contrast, it is N-glycosylated. By a directed mutagenesis of several Asn residues, we identified that the protein is simultaneously glycosylated at N103, N107 and N139. Although the mutation o…

Vesicle-associated membrane protein 8Saccharomyces cerevisiae ProteinsMolecular Sequence DataBioengineeringmacromolecular substancesSaccharomyces cerevisiaeBiologyEndoplasmic ReticulumApplied Microbiology and BiotechnologyBiochemistryProtein structureSEC62Gene Expression Regulation FungalGeneticsAmino Acid SequenceCell MembraneMembrane ProteinsActin cytoskeletonCell biologyTransport proteinProtein Structure TertiaryTransmembrane domainProtein TransportBiochemistryMembrane topologyProtein foldingProtein Processing Post-TranslationalBiotechnologyMolecular ChaperonesYeast (Chichester, England)
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Endoplasmic Reticulum stress reduces COPII vesicle formation and modifies Sec23a cycling at ERESs

2013

AbstractExit from the Endoplasmic Reticulum (ER) of newly synthesized proteins is mediated by COPII vesicles that bud from the ER at the ER Exit Sites (ERESs). Disruption of ER homeostasis causes accumulation of unfolded and misfolded proteins in the ER. This condition is referred to as ER stress. Previously, we demonstrated that ER stress rapidly impairs the formation of COPII vesicles. Here, we show that membrane association of COPII components, and in particular of Sec23a, is impaired by ER stress-inducing agents suggesting the existence of a dynamic interplay between protein folding and COPII assembly at the ER.

Vesicular Transport ProteinsBiophysicsEndoplasmic ReticulumBiochemistryCell LineVesicular Transport ProteinGeneticStructural BiologyERESGeneticsVesicular Transport ProteinsHumansCOPIIEndoplasmic Reticulum StreMolecular BiologyCOPIIChemistryVesicleEndoplasmic reticulumSec23Cell BiologyCOP-Coated VesiclesSEC23AEndoplasmic Reticulum StressCell biologyBiophysicUnfolded protein responseER streProtein foldingCOP-Coated VesiclesER stressCOP-Coated VesicleHumanProtein BindingFEBS Letters
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